UCSF

ZINC58482296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 37 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.64 14.63 -41.04 1 8 0 93 510.631 12
Hi High (pH 8-9.5) 5.64 12.87 -49.63 0 8 -1 91 509.623 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )